SCHEMBL6371975

SCHEMBL6371975

CCc1cc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)o2)c(C)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HPGD P15428 2/20 0.45
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14142483 0.99 ALDH1A1 (0.47) ALDH1A1MAPK1HPGDUSP2TSHR
SCHEMBL6371046 0.92 PARP1 (0.43) ALDH1A1MAPK1HPGDTSHRL3MBTL1
SCHEMBL6372340 0.91 PARP1 (0.44) ALDH1A1MAPK1HPGDTSHRL3MBTL1
Hydrochloric Acid SCHEMBL14142470 0.91 PARP1 (0.42) ALDH1A1MAPK1HPGDUSP2TSHR
Hydrochloric Acid SCHEMBL14142261 0.90 PARP1 (0.44) ALDH1A1MAPK1HPGDUSP2L3MBTL1
SCHEMBL6371030 0.86 L3MBTL1 (0.46) MAPK1L3MBTL1CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL14142546 0.86 L3MBTL1 (0.45) MAPK1L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL6372337 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1HPGDUSP2TSHR
Hydrochloric Acid SCHEMBL14142499 0.80 USP2 (0.48) ALDH1A1MAPK1HPGDUSP2TSHR
SCHEMBL6371216 0.77 HTT (0.41) ALDH1A1HPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ALDH1A1 280/4885MAPK1 1388/4885HPGD 346/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ALDH1A1 280/4885MAPK1 1388/4885HPGD 346/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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